1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

C24H34Cl2N2O3 — CID 171282985

IUPAC1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(OCc2ccccc2)c([C@H](CC2CC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C24H32N2O3.2ClH/c1-27-23-15-20(21(14-18-8-9-18)26-12-10-25-11-13-26)22(16-24(23)28-2)29-17-19-6-4-3-5-7-19;;/h3-7,15-16,18,21,25H,8-14,17H2,1-2H3;2*1H/t21-;;/m0../s1
InChIKeyNDMHJHWIWOXKMM-FGJQBABTSA-N
MW469.45 g/mol
LogP4.87
Rot. Bonds9

About 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171282985) has the molecular formula C24H34Cl2N2O3 and a molecular weight of 469.45 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171282985
Molecular FormulaC24H34Cl2N2O3
Molecular Weight469.45 g/mol
Exact Mass468.19
IUPAC Name1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(OCc2ccccc2)c([C@H](CC2CC2)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C24H32N2O3.2ClH/c1-27-23-15-20(21(14-18-8-9-18)26-12-10-25-11-13-26)22(16-24(23)28-2)29-17-19-6-4-3-5-7-19;;/h3-7,15-16,18,21,25H,8-14,17H2,1-2H3;2*1H/t21-;;/m0../s1
InChIKeyNDMHJHWIWOXKMM-FGJQBABTSA-N
XLogP4.87
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
CID 171295610
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172753
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
2,3-dibromo-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296318
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171282985) is 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc(OCc2ccccc2)c([C@H](CC2CC2)N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is NDMHJHWIWOXKMM-FGJQBABTSA-N. The full InChI is InChI=1S/C24H32N2O3.2ClH/c1-27-23-15-20(21(14-18-8-9-18)26-12-10-25-11-13-26)22(16-24(23)28-2)29-17-19-6-4-3-5-7-19;;/h3-7,15-16,18,21,25H,8-14,17H2,1-2H3;2*1H/t21-;;/m0../s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 469.45 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).